N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzamide

Systemtic Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzamide CAS Name: N-[3-(3,5-dimethyl-1-pyrazolyl)propyl]-4-[(4-methyl-2-thiazolyl)thio]-3-nitrobenzamide IUPAC Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzamide Formula: C19H21N5O3S2 MolecularWeight: 431.53174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC(=O)C2=CC(=C(C=C2)SC3=NC(=CS3)C)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1CCCNC(=O)C2=CC(=C(C=C2)SC3=NC(=CS3)C)[N+](=O)[O-])C

InChI

InChI=1S/C19H21N5O3S2/c1-12-9-14(3)23(22-12)8-4-7-20-18(25)15-5-6-17(16(10-15)24(26)27)29-19-21-13(2)11-28-19/h5-6,9-11H,4,7-8H2,1-3H3,(H,20,25)